2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoate

Systemtic Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoate Openeye Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-indolin-1-ium-1-yl]propanoate CAS Name: 2-[1-(1-imidazolylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoate IUPAC Name: 2-[1-(imidazol-1-ylmethyl)-2-methyl-5-pentoxy-2,3-dihydroindol-1-ium-1-yl]propanoate Traditional Name: 2-[5-amoxy-1-(imidazol-1-ylmethyl)-2-methyl-indolin-1-ium-1-yl]propionate Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC2=C(C=C1)[N+](C(C2)C)(CN3C=CN=C3)C(C)C(=O)[O-]

Isomeric SMILES

CCCCCOC1=CC2=C(C=C1)[N+](C(C2)C)(CN3C=CN=C3)C(C)C(=O)[O-]

InChI

InChI=1S/C21H29N3O3/c1-4-5-6-11-27-19-7-8-20-18(13-19)12-16(2)24(20,17(3)21(25)26)15-23-10-9-22-14-23/h7-10,13-14,16-17H,4-6,11-12,15H2,1-3H3